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Structure paper

TitleDynamic metal coordination controls chemoselectivity in a radical halogenase.
Journal, issue, pagesNat. Chem. Biol., Year 2025
Publish dateApr 29, 2025 (structure data deposition date)
AuthorsKissman, E.N. / Kipouros, I. / Slater, J.W. / Stone, E.A. / Yang, A.Y. / Braun, A. / Ensberg, A.R. / Whitten, A.M. / Chatterjee, K. / Bogacz, I. ...Kissman, E.N. / Kipouros, I. / Slater, J.W. / Stone, E.A. / Yang, A.Y. / Braun, A. / Ensberg, A.R. / Whitten, A.M. / Chatterjee, K. / Bogacz, I. / Yano, J. / Martin Bollinger Jr., J. / Chang, M.C.Y.
External linksNat. Chem. Biol. / PubMed:41272319
MethodsX-ray diffraction
Resolution1.67 - 2.4 Å
Structure data

PDB-9oer:
HalA with lysine, Fe(II), chloride, and a peroxyhemiketal intermediate
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

PDB-9oes:
HalA with lysine, succinate, chloride, and vanadium(IV)-oxo at pH 4.2
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-9oet:
Hydrox with succinate and vanadium(IV)-oxo
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-9oeu:
HalA with lysine, succinate, chloride, and vanadium(IV)-oxo at pH 7
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

PDB-9oev:
HalA I151N with lysine, succinate, chloride, and vanadium(IV)-oxo
Method: X-RAY DIFFRACTION / Resolution: 2.17 Å

PDB-9oew:
HalA N224V with lysine, succinate, chloride, and vanadium(IV)-oxo
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-LYS:
LYSINE

ChemComp-AKG:
2-OXOGLUTARIC ACID

ChemComp-FE2:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-SIN:
SUCCINIC ACID


ChemComp, No image

ChemComp-YL0:
Unknown entry

PDB-1ca1:
ALPHA-TOXIN FROM CLOSTRIDIUM PERFRINGENS

ChemComp-HOH:
WATER

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-VVO:
oxovanadium(2+)

ChemComp-FLC:
CITRATE ANION

ChemComp-V:
VANADIUM ION

Source
  • actinoplanes teichomyceticus (bacteria)
  • streptomyces roseifaciens (bacteria)
KeywordsBIOSYNTHETIC PROTEIN / Halogenase / Fe/2OG oxidase

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